2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one

C25H46N4O — CID 70420025

IUPAC2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
SMILESCC(=CC(=O)C=C(C)NC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H46N4O/c1-17(26-19-13-22(3,4)28-23(5,6)14-19)11-21(30)12-18(2)27-20-15-24(7,8)29-25(9,10)16-20/h11-12,19-20,26-29H,13-16H2,1-10H3
InChIKeyDLGMXLBIAPUWCL-UHFFFAOYSA-N
MW418.67 g/mol
LogP4.16
Rot. Bonds6

About 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one

2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one (PubChem CID 70420025) has the molecular formula C25H46N4O and a molecular weight of 418.67 g/mol. Its IUPAC name is 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one.

Molecular Properties

Compound Name2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
PubChem CID70420025
Molecular FormulaC25H46N4O
Molecular Weight418.67 g/mol
Exact Mass418.37
IUPAC Name2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
SMILESCC(=CC(=O)C=C(C)NC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H46N4O/c1-17(26-19-13-22(3,4)28-23(5,6)14-19)11-21(30)12-18(2)27-20-15-24(7,8)29-25(9,10)16-20/h11-12,19-20,26-29H,13-16H2,1-10H3
InChIKeyDLGMXLBIAPUWCL-UHFFFAOYSA-N
XLogP4.16
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.67
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one?
The IUPAC name of 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one (CID 70420025) is 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one.
What is the SMILES notation for 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one?
The canonical SMILES for 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one is CC(=CC(=O)C=C(C)NC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one?
The InChIKey is DLGMXLBIAPUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O/c1-17(26-19-13-22(3,4)28-23(5,6)14-19)11-21(30)12-18(2)27-20-15-24(7,8)29-25(9,10)16-20/h11-12,19-20,26-29H,13-16H2,1-10H3.
What are the key properties of 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one?
2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one has a molecular weight of 418.67 g/mol, XLogP of 4.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one is sourced from PubChem (CID 70420025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).